ergo
LR::EigenSolver Member List

This is the complete list of members for LR::EigenSolver, including all inherited members.

addToSpace(VarVectorCollection &vecs, E2Evaluator &e2)LR::LRSolverprotectedvirtual
ao2mo(int nbast, const ergo_real *ao, ergo_real *mo) constLR::LRSolverprotected
AvectsLR::LRSolverprivate
buildVector(const ergo_real *w, VarVector &full)LR::LRSolverprotected
cmoLR::LRSolverprivate
computeExactE2Diag(E2Evaluator &e2)LR::LRSolver
computeMoments(OneElOperator &dipx, OneElOperator &dipy, OneElOperator &dipz)LR::EigenSolver
convThresholdLR::LRSolver
e2diagLR::LRSolverprotected
EigenSolver(int nbast, int nocc, const ergo_real *fock_matrix, const ergo_real *overlap, int n)LR::EigenSolverinline
eSubLR::LRSolverprotected
fdiagLR::LRSolverprivate
getAvMinusFreqSv(ergo_real f, ergo_real *weights, VarVector &r)LR::LRSolverprotected
getFreq(int i) constLR::EigenSolverinline
getInitialGuess(VarVectorCollection &vecs)LR::EigenSolvervirtual
getPreconditionerShift(int i) constLR::EigenSolverinlinevirtual
getResidual(VarVectorCollection &residualv)LR::EigenSolvervirtual
getTransitionMoment2(int i) constLR::EigenSolverinline
increaseSubspaceLimit(int newSize)LR::EigenSolvervirtual
last_evLR::EigenSolverprivate
lintrans(E2Evaluator &e2, const VarVector &v, VarVector &Av) constLR::LRSolverprivate
load_F_MO(ergo_real *fmat) constLR::LRSolverprivate
LRSolver(int nbast, int nocc, const ergo_real *fock_matrix, const ergo_real *s)LR::LRSolver
maxSubspaceSizeLR::LRSolver
mo2ao(int nbast, const ergo_real *mo, ergo_real *ao) constLR::LRSolverprotected
MVECLR::LRSolverprotectedstatic
nbastLR::LRSolverprotected
nConvergedLR::EigenSolverprivate
noccLR::LRSolverprotected
nStatesLR::EigenSolverprivate
operToVec(OneElOperator &oper, VarVector &res) constLR::LRSolverprotected
projectOnSubspace(const VarVector &full, ergo_real *w)LR::LRSolverprotected
ritzValsLR::EigenSolverprivate
setE2diag(int nbast, int nocc, const ergo_real *fock_matrix, const ergo_real *s)LR::LRSolverprotected
solve(E2Evaluator &e, bool diskMode=false)LR::LRSolver
sSubLR::LRSolverprotected
subspaceSizeLR::LRSolverprotected
transMoms2LR::EigenSolverprivate
vectsLR::LRSolverprotected
xSubLR::LRSolverprotected
~EigenSolver()LR::EigenSolverinlinevirtual
~LRSolver()LR::LRSolverinlinevirtual